Chem
J-GLOBAL ID:200907039455684696
Nikkaji number:J1.897.976D
2,3,7,8,12,13,17,18-Octakis[3-(trifluoromethyl)phenyl]-5,10,15,20-tetraaza-21H,23H-porphyrin
2,3,7,8,12,13,17,18-オクタキス[3-(トリフルオロメチル)フェニル]-5,10,15,20-テトラアザ-21H,23H-ポルフィリン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C72 H34 F24 N8
Molecular formula furigana:
C72-H34-F24-N8
Molecular weight:
1467.082
InChI:
InChI=1S/C72H34F24N8/c73-65(74,75)41-17-1-9-33(25-41)49-50(34-10-2-18-42(26-34)66(76,77)78)58-97-57(49)101-59-51(35-11-3-19-43(27-35)67(79,80)81)52(36-12-4-20-44(28-36)68(82,83)84)61(98-59)103-63-55(39-15-7-23-47(31-39)71(91,92)93)56(40-16-8-24-48(32-40)72(94,95)96)64(100-63)104-62-54(38-14-6-22-46(30-38)70(88,89)90)53(60(99-62)102-58)37-13-5-21-45(29-37)69(85,86)87/h1-32H,(H2,97,98,99,100,101,102,103,104)
InChI key:
KCKFMGYJEYZUDF-UHFFFAOYSA-N
SMILES:
FC(F)(F)c1cccc(c1)C1=C(c2cccc(c2)C(F)(F)F)/C/2=N/c3[nH]c(/N=C/4\N=C(/N=c/5\[nH]/c(=N\C1=N2)/c(c5c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F)C(=C4c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F)c(c3c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
Systematic name (3):
2,3,7,8,12,13,17,18-オクタキス[3-(トリフルオロメチル)フェニル]-5,10,15,20-テトラアザ-21H,23H-ポルフィリン
4,5,9,10,14,15,19,20-オクタキス[3-(トリフルオロメチル)フェニル]-2,7,12,17,21,22,23,24-オクタアザペンタシクロ[16.2.1.13,6 .18,11 .113,16 ]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
4,5,9,10,14,15,19,20-octakis[3-(trifluoromethyl)phenyl]-2,7,12,17,21,22,23,24-octaazapentacyclo[16.2.1.13,6 .18,11 .113,16 ]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (1):
2,3,7,8,12,13,17,18-Octakis[3-(trifluoromethyl)phenyl]-5,10,15,20-tetraaza-21H,23H-porphyrin
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